Thermal helium clusters at 3.2 Kelvin in classical and semiclassical simulations |
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Authors: | J. Schulte |
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Affiliation: | (1) Department of Chemistry, Texas A&M University, College Station, 77843-3255 Texas |
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Abstract: | The thermodynamic stability of4He4–13 at 3.2 K is investigated with the classical Monte Carlo method, with the semiclassical path-integral Monte Carlo (PIMC) method, and with the semiclassical all-order many-body method. In the all-order many-body simulation the dipole-dipole approximation including short-range correction is used. The resulting stability plots are discussed and related to recent TOF experiments by Stephens and King. It is found that with classical Monte Carlo of course the characteristics of the measured mass spectrum cannot be resolved. With PIMC, switching on more and more quantum mechanics. by raising the number of virtual time steps results in more structure in the stability plot, but this did not lead to sufficient agreement with the TOF experiment. Only the all-order many-body method resolved the characteristic structures of the measured mass spectrum, including magic numbers. The result shows the influence of quantum statistics and quantum mechanics on the stability of small neutral helium clusters. |
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Keywords: | Helium cluster quantum mechanics quantum statistics simulation many-body path integration |
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